3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole

C20H23NO5 — CID 58672883

IUPAC3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NOC(c3cc(OC)c(OC)c(OC)c3)C2)cc1C
InChIInChI=1S/C20H23NO5/c1-12-8-13(6-7-16(12)22-2)15-11-17(26-21-15)14-9-18(23-3)20(25-5)19(10-14)24-4/h6-10,17H,11H2,1-5H3
InChIKeyRFSFVWOBTLWBFJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.90
Rot. Bonds6

About 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole

3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 58672883) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID58672883
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NOC(c3cc(OC)c(OC)c(OC)c3)C2)cc1C
InChIInChI=1S/C20H23NO5/c1-12-8-13(6-7-16(12)22-2)15-11-17(26-21-15)14-9-18(23-3)20(25-5)19(10-14)24-4/h6-10,17H,11H2,1-5H3
InChIKeyRFSFVWOBTLWBFJ-UHFFFAOYSA-N
XLogP3.90
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 58672883) is 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NOC(c3cc(OC)c(OC)c(OC)c3)C2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is RFSFVWOBTLWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-12-8-13(6-7-16(12)22-2)15-11-17(26-21-15)14-9-18(23-3)20(25-5)19(10-14)24-4/h6-10,17H,11H2,1-5H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole?
3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 357.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58672883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).